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Substance Name: 1-tert-Butyl-7-(3,5-dimethyl-piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
RN: 116162-85-7
InChIKey: ZKXANRKOHXSTKC-TXEJJXNPSA-N

Molecular Formula

  • C20-H26-F-N3-O3

Molecular Weight

  • 375.4414
 
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Names and Synonyms

Synonyms

  • PD 161315
  • PD161315

Systematic Name

  • 1-tert-Butyl-7-(3,5-dimethyl-piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Registry Numbers

CAS Registry Number

  • 116162-85-7

System Generated Number

  • 0116162857

Structure Descriptors

InChI

1S/C20H26FN3O3/c1-11-8-23(9-12(2)22-11)17-7-16-13(6-15(17)21)18(25)14(19(26)27)10-24(16)20(3,4)5/h6-7,10-12,22H,8-9H2,1-5H3,(H,26,27)/t11-,12+

InChIKey

ZKXANRKOHXSTKC-TXEJJXNPSA-N

Smiles

C[C@@H]1CN(C[C@@H](N1)C)c2cc3c(cc2F)c(=O)c(cn3C(C)(C)C)C(=O)O